Article
Materials Science, Multidisciplinary
Nicholas Filla, Jixin Hou, He Li, Xianqiao Wang
Summary: Fibrin fibers and fibrin network are crucial for blood clot functionality, but there is a lack of quantitative methods to understand how alterations in the microstructure of fibrin network affect its mechanical responses. This study presents a multiscale framework for modeling fibrin fibers and network, providing valuable insights into the mechanism underlying thromboembolism.
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
(2023)
Article
Engineering, Multidisciplinary
K. Mikes, F. Bormann, O. Rokos, R. H. J. Peerlings
Summary: The text discusses two different modeling approaches for understanding local defects in engineering materials: fully-resolved discrete systems and homogenized continuum formulations with specific enrichments. A comparison is made in terms of theory, accuracy, and performance, demonstrating capabilities and limitations of both methods. While continuum models with embedded cohesive zones offer good performance to accuracy ratios, they might not capture unexpected complex mechanical behavior. The Quasicontinuum method, on the other hand, provides more flexibility and higher accuracy with a slightly higher computational cost.
COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING
(2021)
Article
Polymer Science
Hosup Song, Grigori A. Medvedev, James M. Caruthers, Jun Young Jo, Jaewoo Kim
Summary: Historically, constitutive models for glassy polymers have focused on the stress-strain behavior observed in constant strain rate (CSR) loading, but the true test of such models lies in their ability to predict complex multistep deformations. A series of multistep experiments was conducted on a lightly crosslinked PBMA/MMA copolymer using EGDMA, with systematically varied parameters for intermediate steps, and none of the traditional constitutive models were able to qualitatively predict the data. However, a recently proposed toy model successfully captures the observed trends.
Article
Engineering, Multidisciplinary
Filippo Masi, Ioannis Stefanou
Summary: The mechanical behavior of inelastic materials with microstructure is complex and difficult to predict accurately using traditional methods. This paper proposes a Thermodynamics-based Artificial Neural Networks (TANN) approach for modeling such materials. Several examples demonstrate the high accuracy and physical consistency of TANN in predicting macroscopic and microscopic mechanical behavior.
COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING
(2022)
Article
Engineering, Mechanical
Jun-Yuan Zheng, J. Q. Ran, M. W. Fu
Summary: Traditional macro-scaled plasticity theories may not be fully valid in meso-/micro-scaled deformation studies due to size effects. The anisotropy of individual grains significantly affects the mechanical responses of polycrystalline metallic materials. Microcracks mainly initiate at grain boundary regions and grow along grain boundaries in meso-/microforming.
INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES
(2022)
Article
Multidisciplinary Sciences
Andrew A. Zhuravlev, Karine K. Abgaryan, Dmitry L. Reviznikov
Summary: A multiscale approach to discrete element modeling is presented, where each macroscopic discrete element is associated with an atomic sample representing the material's atomic structure. The dynamics of elements on macro and micro levels are described using systems of ordinary differential equations, solved in a self-consistent manner. The method was applied to polycrystalline silicon, obtaining macroscopic elastic properties solely from quantum mechanical properties, with computational experiment results corresponding well to reference data.
Article
Mechanics
M. Wubuliaisan, Yanqing Wu, Xiao Hou, Xiangyang Liu, Yi Wu
Summary: This paper presents a multiscale nonlinear viscoelastic constitutive model for NEPE propellant with high elongation, taking into account viscoelasticity, strain rate, confining pressure, and softening effects. The damage due to interface debonding or failure is investigated by analyzing microstructural changes in an RVE. A physics-based normalized debonding ratio is introduced and modeled using a cohesive zone model to capture the evolution of interface debonding. The model is implemented in ABAQUS for numerical analysis and shows good agreement with experimental results, considering the effects of strain rate, relaxation, creep, and confining pressure on stress response.
INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES
(2023)
Article
Engineering, Mechanical
Linli Zhu, Haihui Ruan, Ligang Sun, Xiang Guo, Jian Lu
Summary: The study focuses on the constitutive analysis of size-dependent deformation behaviors in micropillars of a NDPGC alloy, aiming to explore the mechanical properties of the material at different grain sizes. Experimental and numerical results show that reducing grain size can increase the yield strength of NDPGC micropillars without causing the inverse Hall-Petch effect. This suggests that controlling the microstructural size can optimize the mechanical performance of NDPGC alloys.
INTERNATIONAL JOURNAL OF PLASTICITY
(2021)
Article
Nanoscience & Nanotechnology
Harish Devaraj, Qi Tian, Weihong Guo, Rajiv Malhotra
Summary: Thermally driven sintering is widely used for enhancing the conductivity of metal nanowire ensembles in printed electronics, with a new modeling framework successfully linking atomistic simulations of neck growth to ensemble conductivity evolution. The experimental validation demonstrates ultra-low computational effort and rapid design capability.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Engineering, Biomedical
Krashn Kr. Dwivedi, Piyush Lakhani, Praveer Sihota, Kulbhushan Tikoo, Sachin Kumar, Navin Kumar
Summary: This study developed a non-obese T2DM rat model to investigate the effect of diabetes on the skin's biomechanical and structural properties. The results showed that diabetes causes significant changes in the mechanical and structural properties of the skin, with high blood glucose being the main factor. These findings are important for understanding skin pathology and simulating clinical procedures.
ACTA BIOMATERIALIA
(2023)
Article
Computer Science, Artificial Intelligence
Debaditya Chakraborty, Hakan Basagaoglu, Sara Alian, Ali Mirchi, Daniel N. Moriasi, Patrick J. Starks, Jerry A. Verser
Summary: The Multiscale Extrapolative Learning Algorithm (MELA) is introduced as an AI-based data extrapolator that extends local hydroclimatic measurements to longer periods using remotely-sensed data. The implementation of MELA successfully extrapolates soil moisture measurements and predicts winter wheat yields with high accuracy. The XAI model highlights the importance of soil moisture and precipitation in crop yield estimation, and suggests potential reductions in rainfed crop yields in the study area without climate-resilient plans.
EXPERT SYSTEMS WITH APPLICATIONS
(2023)
Article
Construction & Building Technology
Markus Konigsberger, Tulio Honorio, Julien Sanahuja, Brice Delsaute, Bernhard L. A. Pichler
Summary: This paper presents the results of a European benchmark on multiscale creep modeling for cementitious materials, showing the possibility of upscaling creep from micrometer-sized C-S-H to centimeter-sized macroscopic samples. By comparing model results and experimental results, the importance of considering micro-anisotropy of C-S-H is highlighted.
CONSTRUCTION AND BUILDING MATERIALS
(2021)
Article
Construction & Building Technology
Tagir Iskhakov, Jithender J. Timothy, Sven Plueckelmann, Rolf Breitenbuecher, Guenther Meschke
Summary: Tunnel linings installed in difficult geological conditions, such as Opalinus Clay and rocks containing anhydrite, can be protected from deterioration and failure by incorporating a compressible cementitious layer. The compaction potential of this layer can be improved by introducing soft inclusions or air bubbles in the cementitious mix. However, finding the optimal mix that provides both compaction potential and strength is important. Computational modeling can be used to design the compressible composite and predict its behavior based on material properties and volume fraction of the components. Experimental investigations are conducted to validate the model predictions.
CEMENT & CONCRETE COMPOSITES
(2023)
Article
Engineering, Mechanical
Qinyuan Yao, Jiabin Yang, Pan Dong, Ziyuan Zhao, Yi He, Yanli Ma, Feilong Zhang, Weiguo Li
Summary: Acoustic softening is a physically significant phenomenon with important applications, such as in ultrasonic-assisted metal processing and the use of metal materials in acoustic field environments. However, there is a lack of theoretical models to characterize the evolution of metal material strength with an acoustic field. This study developed two models, one for the yield strength and the other for the ultimate tensile strength, based on the equivalent relationship between acoustic energy and elastic deformation/elastoplastic strain energy. The models were validated by experimental results and used to analyze the effects of different acoustic fields on material strength.
EXTREME MECHANICS LETTERS
(2023)
Article
Biochemical Research Methods
M. Chamani
Summary: This paper investigates the application of concurrent multiscale methods in atomic simulations, validates the effectiveness of multiscale models, and discusses the effects on hardness and elastic modulus.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2022)
Article
Instruments & Instrumentation
M. Minissale, A. Durif, P. Hiret, T. Vidal, J. Faucheux, M. Lenci, M. Mondon, G. Kermouche, Y. Pontillon, C. Grisolia, M. Richou, L. Gallais
REVIEW OF SCIENTIFIC INSTRUMENTS
(2020)
Article
Materials Science, Multidisciplinary
Etienne Barthel, Vincent Keryvin, Gustavo Rosales-Sosa, Guillaume Kermouche
Article
Nanoscience & Nanotechnology
Paul Baral, Guillaume Kermouche, Gaylord Guillonneau, Gabrielle Tiphene, Jean-Michel Bergheau, Warren C. Oliver, Jean-Luc Loubet
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2020)
Article
Engineering, Electrical & Electronic
P. Desmarchelier, K. Termentzidis, A. Tanguy
SEMICONDUCTOR SCIENCE AND TECHNOLOGY
(2020)
Article
Crystallography
Liz Karanja, Matthieu Lenci, David Piot, Claire Maurice, Alan Durif, Marianne Richou, Laurent Gallais, Marco Minissale, Guillaume Kermouche
Summary: A new approach based on statistical grid nanoindentation is proposed to investigate the recovery and recrystallization kinetics of tungsten at high temperature. The overlap of recovery and recrystallization in terms of softening fraction was observed, and the activation energy of the static recovery mechanism is in the correct order of magnitude compared to bulk self-diffusion in tungsten. High-throughput nanoindentation analysis appears as a promising way to study recrystallization/recovery mechanisms in metals.
Article
Materials Science, Multidisciplinary
Gabrielle Tiphene, Paul Baral, Solene Comby-Dassonneville, Gaylord Guillonneau, Guillaume Kermouche, Jean-Michel Bergheau, Warren Oliver, Jean-Luc Loubet
Summary: The new technique HTSI utilizes high-speed nanohardness measurements to investigate metallurgical evolution during anisothermal heat treatments, allowing for quasi-continuous measurements of elastic modulus and hardness in a much shorter time frame. It has been validated on fused silica and pure aluminum, and applied to study thermally activated mechanisms in cold-rolled aluminum materials.
JOURNAL OF MATERIALS RESEARCH
(2021)
Article
Physics, Applied
A. Nakhoul, A. Rudenko, X. Sedao, N. Peillon, J. P. Colombier, C. Maurice, G. Blanc, A. Borbely, N. Faure, G. Kermouche
Summary: By controlling the ultrafast laser's energy density and pulse duration, the surface of aluminum-based alloys can be modified effectively, resulting in desirable peening effects such as compressive residual stress, hardness, and surface roughness. The increase in dislocation density indicates plastic deformation, which enhances hardness and surface quality.
JOURNAL OF APPLIED PHYSICS
(2021)
Article
Nanoscience & Nanotechnology
S. Breumier, F. Adamski, J. Badreddine, M. Levesque, G. Kermouche
Summary: Research has found that shot peening of complex geometries can generate rolled edges, which exhibit higher hardening values and steeper hardening gradients. This is mainly attributed to higher dislocation densities around the rolled edge, leading to work hardening.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2021)
Article
Mechanics
Gergely Molnar, Aurelien Doitrand, Adrien Jaccon, Benoit Prabel, Anthony Gravouil
Summary: This paper presents an energetically consistent linear damage gradient model in Abaqus. The optimization with bound constraints is achieved using Lagrange multipliers as an additional degree of freedom. We demonstrate that when the necessary energy corrections are applied, the phase-field simulations are in agreement with the analytical results of linear elastic fracture mechanics. Furthermore, through elaborate benchmark tests, we verify our code and experimentally validate the implementation.
ENGINEERING FRACTURE MECHANICS
(2022)
Article
Materials Science, Multidisciplinary
Amine Saidi, Anne Tanguy, Marion Fourmeau, Gergely Molnar, Abderraouf Boucherif, Denis Machon
Summary: Silicon-based anodes are promising for energy storage, but mechanical stresses generated during lithiation can lead to rapid degradation. Molecular Dynamics simulations are used to investigate the coupling between mechanical and (electro)chemical phenomena during lithiation. It is found that the diffusion regime of lithium atoms in silicon depends on crystalline orientations and applied pressure. The computed complex stress field during lithiation is highly dependent on lithium density, temperature, and crystalline orientation, and can lead to the amorphization of silicon support.
MECHANICS OF MATERIALS
(2023)
Article
Engineering, Mechanical
Aurelien Doitrand, Gergely Molnar, Rafael Estevez, Anthony Gravouil
Summary: This paper presents a length-free implementation of the phase field approach to fracture. The input parameters of the proposed model are the same as those of the coupled criterion. The formulation is based on a previously determined correlation between the internal length and the material tensile strength in classical phase field fracture models. Using the proposed formulation, similar failure loads are obtained and a size effect for a crack under remote tensile stress in an infinite medium can be retrieved, allowing for complementary use with the coupled criterion.
THEORETICAL AND APPLIED FRACTURE MECHANICS
(2023)
Article
Mechanics
Elie Eid, Anthony Gravouil, Gergely Molnar
Summary: This contribution explores three thermodynamically-consistent damage phase-field formulations for rate-dependent dynamic fracture in viscoelastic materials. The study compares the formulations and modelling assumptions using a numerical study and discusses the limiting crack-tip speeds. The results show the significant role of rate dependency in suppressing crack branching and accelerating crack propagation.
ENGINEERING FRACTURE MECHANICS
(2023)
Article
Materials Science, Multidisciplinary
T. Deschamps, C. Martinet, B. Champagnon, G. Molnar, E. Barthel
Summary: Memory effects in the deformation of densified soda-lime silicate glasses have been evidenced using Raman-microspectroscopy, and the network reconfigurations it originates from have been identified through molecular dynamics simulations. These results contribute to a better understanding of plastic instability, damage, and rupture properties in iono-covalent glassy materials.
Article
Physics, Fluids & Plasmas
H. Luo, A. Gravouil, V. M. Giordano, W. Schirmacher, A. Tanguy
Article
Chemistry, Physical
Stefanos Giaremis, Joseph Kioseoglou, Paul Desmarchelier, Anne Tanguy, Mykola Isaiev, Imad Belabbas, Philomela Komninou, Konstantinos Termentzidis
ACS APPLIED ENERGY MATERIALS
(2020)
Article
Materials Science, Multidisciplinary
Y. Liu, K. Zweiacker, C. Liu, J. T. McKeown, J. M. K. Wiezorek
Summary: The evolution of rapid solidification microstructure and solidification interface velocity of hypereutectic Al-20at.%Cu alloy after laser melting has been studied experimentally. It was found that the formation of microstructure was dominated by eutectic, alpha-cell, and banded morphology grains, and the growth modes changed with increasing interface velocity.
Article
Materials Science, Multidisciplinary
Bharat Gwalani, Julian Escobar, Miao Song, Jonova Thomas, Joshua Silverstein, Andrew Chihpin Chuang, Dileep Singh, Michael P. Brady, Yukinori Yamamoto, Thomas R. Watkins, Arun Devaraj
Summary: Castable alumina forming austenitic alloys exhibit superior creep life and oxidation resistance at high temperatures. This study reveals the mechanism behind the enhanced creep performance of these alloys by suppressing primary carbide formation and offers a promising alloy design strategy for high-temperature applications.
Article
Materials Science, Multidisciplinary
Jian Song, Qi Zhang, Songsong Yao, Kunming Yang, Houyu Ma, Jiamiao Ni, Boan Zhong, Yue Liu, Jian Wang, Tongxiang Fan
Summary: Recent studies have shown that achieving an atomically flat surface for metals can greatly improve their oxidation resistance and enhance their electronic-optical applications. Researchers have explored the use of graphene as a covering layer to achieve atomically flat surfaces. They found that high-temperature deposited graphene on copper surfaces formed mono-atomic steps, while annealed copper and transferred graphene on copper interfaces formed multi-atomic steps.
Article
Materials Science, Multidisciplinary
Jennifer A. Glerum, Jon-Erik Mogonye, David C. Dunand
Summary: Elemental powders of Al, Ti, Sc, and Zr are blended and processed via laser powder-bed fusion to create binary and ternary alloys. The microstructural analysis and mechanical testing show that the addition of Ti results in the formation of primary precipitates, while the addition of Sc and Zr leads to the formation of fine grain bands. The Al-0.25Ti-0.25Zr alloy exhibits comparable strain rates to Al-0.5Zr at low stresses, but significantly higher strain rates at higher stresses during compressive creep testing. Finite element modeling suggests that the connectivity of coarse and fine grain regions is a critical factor affecting the creep resistance of the alloys.
Article
Materials Science, Multidisciplinary
P. Jannotti, B. C. Hornbuckle, J. T. Lloyd, N. Lorenzo, M. Aniska, T. L. Luckenbaugh, A. J. Roberts, A. Giri, K. A. Darling
Summary: This work characterizes the thermo-mechanical behavior of bulk nanocrystalline Cu-Ta alloys under extreme conditions. The experiments reveal that the alloys exhibit unique mechanical properties, behaving differently from conventional nanocrystalline Cu. They do not undergo grain coarsening during extrusion and exhibit behavior similar to coarse-grained Cu.
Article
Materials Science, Multidisciplinary
Yiqing Wei, Jingwei Li, Daliang Zhang, Bin Zhang, Zizhen Zhou, Guang Han, Guoyu Wang, Carmelo Prestipino, Pierric Lemoine, Emmanuel Guilmeau, Xu Lu, Xiaoyuan Zhou
Summary: This study proposes a new strategy to modify microstructure by phase regulation, which can simultaneously enhance carrier mobility and reduce lattice thermal conductivity. The addition of Cu in layered SnSe2 induces a phase transition that leads to increased grain size and reduced stacking fault density, resulting in improved carrier mobility and lower lattice thermal conductivity.
Article
Materials Science, Multidisciplinary
Jia Chen, Zhengyu Zhang, Eitan Hershkovitz, Jonathan Poplawsky, Raja Shekar Bhupal Dandu, Chang-Yu Hung, Wenbo Wang, Yi Yao, Lin Li, Hongliang Xin, Honggyu Kim, Wenjun Cai
Summary: In this study, the structural origin of the pH-dependent repassivation mechanisms in multi-principal element alloys (MPEA) was investigated using surface characterization and computational simulations. It was found that selective oxidation in acidic to neutral solutions leads to enhanced nickel enrichment on the surface, resulting in reduced repassivation capability and corrosion resistance.
Article
Materials Science, Multidisciplinary
X. Y. Xu, C. P. Huang, H. Y. Wang, Y. Z. Li, M. X. Huang
Summary: The limited slip systems of magnesium (Mg) and its alloys hinder their wide applications. By conducting tensile straining experiments, researchers discovered a rate-dependent transition in the dislocation mechanisms of Mg alloys. At high strain rates, glissile dislocations dominate, while easy-glide dislocations dominate at low strain rates. Abundant glissile dislocations do not necessarily improve ductility.
Article
Materials Science, Multidisciplinary
M. S. Szczerba, M. J. Szczerba
Summary: Inverse temperature dependences of the detwinning stress were observed in face-centered cubic deformation twins in Cu-8at.%Al alloy. The detwinning stress increased with temperature when the pi detwinning mode was involved, but decreased when the pi/3 mode was involved. The dual effect of temperature on the detwinning stress was due to the reduction of internal stresses pre-existing within the deformation twins. The complete reduction of internal stresses at about 530 degrees C led to the equivalence of the critical stresses of different detwinning modes and a decrease in the yield stress anisotropy of the twin/matrix structure.
Article
Materials Science, Multidisciplinary
Taowen Dong, Tingting Qin, Wei Zhang, Yaowen Zhang, Zhuoran Feng, Yuxiang Gao, Zhongyu Pan, Zixiang Xia, Yan Wang, Chunming Yang, Peng Wang, Weitao Zheng
Summary: The interaction between the electrode and the electric double layer (EDL) significantly influences the energy storage mechanism. By studying the popular alpha-Fe2O3 electrode and the EDL interaction, we find that the energy storage mechanism of the electrode can be controlled by modulating the EDL.
Article
Materials Science, Multidisciplinary
Matthew R. Barnett, Jun Wang, Sitarama R. Kada, Alban de Vaucorbeil, Andrew Stevenson, Marc Fivel, Peter A. Lynch
Summary: The elastic-plastic transition in magnesium alloy Mg-4.5Zn exhibits bursts of deformation, which are characterized by sudden changes in grain orientation. These bursts occur in a coordinated manner among nearby grains, with the highest burst rate observed at the onset of full plasticity. The most significant burst events are associated with twinning, supported by the observation of twinned structures using electron microscopy. The bursts are often preceded and followed by a stasis in peak movement, indicating a certain "birth size" for twins upon formation and subsequent growth at a later stage.
Article
Materials Science, Multidisciplinary
Vaidehi Menon, Sambit Das, Vikram Gavini, Liang Qi
Summary: Understanding solute segregation thermodynamics is crucial for investigating grain boundary properties. The spectral approach and thermodynamic integration methods can be used to predict solute segregation behavior at grain boundaries and compare with experimental observations, thus aiding in alloy design and performance control.
Article
Materials Science, Multidisciplinary
Feiyu Qin, Lei Hu, Yingcai Zhu, Yuki Sakai, Shogo Kawaguchi, Akihiko Machida, Tetsu Watanuki, Yue-Wen Fang, Jun Sun, Xiangdong Ding, Masaki Azuma
Summary: This study reports on the negative and zero thermal expansion properties of Cd2Re2O7 and Cd1.95Ni0.05Re2O7 materials, along with their ultra-low thermal conductivity. Through investigations of their structures and phonon calculations, the synergistic effect of local structure distortion and soft phonons is revealed as the key to achieving these distinctive properties.
Article
Materials Science, Multidisciplinary
Thomas Beerli, Christian C. Roth, Dirk Mohr
Summary: A novel testing system for miniature specimens is designed to characterize the plastic response of materials for which conventional full-size specimens cannot be extracted. The system has an automated operation process, which reduces the damage to specimens caused by manual handling and improves the stability of the test results. The experiments show that the miniature specimens extracted from stainless steel and aluminum have high reproducibility, and the results are consistent with those of conventional-sized specimens. A correction procedure is provided to consider the influence of surface roughness and heat-affected zone caused by wire EDM.
Article
Materials Science, Multidisciplinary
Rani Mary Joy, Paulius Pobedinskas, Nina Baule, Shengyuan Bai, Daen Jannis, Nicolas Gauquelin, Marie-Amandine Pinault-Thaury, Francois Jomard, Kamatchi Jothiramalingam Sankaran, Rozita Rouzbahani, Fernando Lloret, Derese Desta, Jan D'Haen, Johan Verbeeck, Michael Frank Becker, Ken Haenen
Summary: This study investigates the influence of film microstructure and composition on the Young's modulus and residual stress in nanocrystalline diamond thin films. The results provide insights into the mechanical properties and intrinsic stress sources of these films, and demonstrate the potential for producing high-quality nanocrystalline diamond films under certain conditions.